[gmx-users] g_WHAM

Shima Arasteh shima_arasteh2001 at yahoo.com
Thu Aug 8 20:13:24 CEST 2013


Would you please let me know if it is possible to get just the first 2 histograms of total 24 histograms by running g_WHAM? 
I mean the tpr-files.dat contains only 2 .tpr files of umbrella sampling simulations and not the all.

I ran such dat file, but doesn't work and gives me an error of no input file.
g_wham -it tpr-files.dat -if pullf-files.dat -o -hist -unit kCal

Thanks in advance.

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